8-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C16H16N4O4S/c1-19-13-12(14(21)20(2)16(19)22)17-15(18-13)25-8-9-7-23-10-5-3-4-6-11(10)24-9/h3-6,9H,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1